N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 369203
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: C1(=O)N(CC(=O)NCc2c3c(cnc2C)CNCC3)CCO1
• Canonical SMILES: O=C(CN1CCOC1=O)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H20N4O3/c1-10-13(12-2-3-16-6-11(12)7-17-10)8-18-14(20)9-19-4-5-22-15(19)21/h7,16H,2-6,8-9H2,1H3,(H,18,20)
• InChIKey: STXGQVPXGFTHMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.934338
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.032895
• LogD (pH = 7.4): -2.5006573
• Log P: -1.004045
• Molar Refractivity: 80.3222 cm^3
• Polarizability: 30.909771 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.3
• LOG S: -0.32
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 4